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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2015	/Aniline/Catalyzed/TBD/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80267324; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-1107.79889054; Eh
	31-Jul-2015	/Aniline/Catalyzed/Water/2_Water/TS TS-Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	-	-821.929548327; Eh
	31-Jul-2015	/Aniline/Catalyzed/Water/2_Water/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-821.990039150; Eh
	31-Jul-2015	/Aniline/Catalyzed/Water/2_Water/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-821.982125876; Eh
	31-Jul-2015	/Aniline/Reactants/Carbonate Propylene_Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-381.607577481; Eh
	31-Jul-2015	/Aniline/Uncatalyzed/AD AD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-669.119578864; Eh
	31-Jul-2015	/Aniline/Reactants/Aniline Aniline	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-287.500108754; Eh
	31-Jul-2015	/Aniline/Reactants/Water Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-76.4159746493; Eh
	31-Jul-2015	/Aniline/Uncatalyzed/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-669.111827429; Eh

Results 31-40 of 40 (Search time: 0.002 seconds).